1-piperazin-1-yl-2-pyrazol-1-ylethanone

C9H14N4O — CID 23070038

IUPAC1-piperazin-1-yl-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9(8-13-5-1-2-11-13)12-6-3-10-4-7-12/h1-2,5,10H,3-4,6-8H2
InChIKeyBPKJFYGUAIRXKV-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.69
Rot. Bonds2

About 1-piperazin-1-yl-2-pyrazol-1-ylethanone

1-piperazin-1-yl-2-pyrazol-1-ylethanone (PubChem CID 23070038) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-pyrazol-1-ylethanone
PubChem CID23070038
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-piperazin-1-yl-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9(8-13-5-1-2-11-13)12-6-3-10-4-7-12/h1-2,5,10H,3-4,6-8H2
InChIKeyBPKJFYGUAIRXKV-UHFFFAOYSA-N
XLogP-0.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-pyrazol-1-ylethanone?
The IUPAC name of 1-piperazin-1-yl-2-pyrazol-1-ylethanone (CID 23070038) is 1-piperazin-1-yl-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-piperazin-1-yl-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-pyrazol-1-ylethanone?
The InChIKey is BPKJFYGUAIRXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(8-13-5-1-2-11-13)12-6-3-10-4-7-12/h1-2,5,10H,3-4,6-8H2.
What are the key properties of 1-piperazin-1-yl-2-pyrazol-1-ylethanone?
1-piperazin-1-yl-2-pyrazol-1-ylethanone has a molecular weight of 194.24 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-pyrazol-1-ylethanone is sourced from PubChem (CID 23070038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).